SCHEMBL9921264

SCHEMBL9921264

CCC(C)Cc1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 10/20 0.56
ANPEP P15144 1/20 0.56
ENPEP Q07075 1/20 0.56
MEP1B Q16820 2/20 0.51
MRGPRX4 Q96LA9 2/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13543995 1.00 FOLH1 (0.56) FOLH1ANPEPENPEPMEP1BMRGPRX4
SCHEMBL8100962 0.87 SLC7A5 (0.42) FOLH1ANPEPENPEPMEP1B
SCHEMBL8095515 0.85 SLC7A5 (0.41) FOLH1ANPEPENPEPMEP1B
SCHEMBL20222942 0.85 FOLH1 (0.51) FOLH1ANPEPENPEPMEP1B
SCHEMBL765921 0.84 FOLH1 (0.61) FOLH1ANPEPENPEPMEP1BMRGPRX4
Isophthalic Acid SCHEMBL1790335 0.84 KMT2A (0.50) FOLH1ANPEPENPEPMEP1B
SCHEMBL14478232 0.83 ANPEP (0.69) FOLH1ANPEPENPEP
SCHEMBL8375490 0.83 FOLH1 (0.59) FOLH1ANPEPENPEPMEP1BMRGPRX4
SCHEMBL9622159 0.83 ANPEP (0.69) FOLH1ANPEPENPEP
SCHEMBL1397444 0.83 ANPEP (0.69) FOLH1ANPEPENPEP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 FOLH1 4333/4885ANPEP 1545/4885ENPEP 1202/4885
US-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 FOLH1 2818/4885ANPEP 1243/4885ENPEP 468/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.